ChemSpider 2D Image | 8-{[5-(Benzoylamino)-4-fluoro-2-methylphenyl]amino}-N-[(2R)-2,3-dihydroxypropyl]-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulene-3-carboxamide | C33H30FN3O5

8-{[5-(Benzoylamino)-4-fluoro-2-methylphenyl]amino}-N-[(2R)-2,3-dihydroxypropyl]-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulene-3-carboxamide

  • Molecular FormulaC33H30FN3O5
  • Average mass567.607 Da
  • Monoisotopic mass567.216919 Da
  • ChemSpider ID76789406

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5H-Dibenzo[a,d]cycloheptene-3-carboxamide, 8-[[5-(benzoylamino)-4-fluoro-2-methylphenyl]amino]-N-[(2R)-2,3-dihydroxypropyl]-10,11-dihydro-5-oxo- [ACD/Index Name]
8-{[5-(Benzoylamino)-4-fluor-2-methylphenyl]amino}-N-[(2R)-2,3-dihydroxypropyl]-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-3-carboxamid [German] [ACD/IUPAC Name]
8-{[5-(Benzoylamino)-4-fluoro-2-methylphenyl]amino}-N-[(2R)-2,3-dihydroxypropyl]-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulene-3-carboxamide [ACD/IUPAC Name]
8-{[5-(Benzoylamino)-4-fluoro-2-méthylphényl]amino}-N-[(2R)-2,3-dihydroxypropyl]-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulène-3-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 735.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.4±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 656.32
ACD/KOC (pH 5.5): 3614.84
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 656.32
ACD/KOC (pH 7.4): 3614.86
Polar Surface Area: 128 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 414.5±3.0 cm3

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